methyl 4-[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(5-pyrrolidinosulfonyl-2-thienyl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O5S2/c1-26-19(23)15-6-4-14(5-7-15)13-20-17(22)12-16-8-9-18(27-16)28(24,25)21-10-2-3-11-21/h4-9H,2-3,10-13H2,1H3,(H,20,22)